| CAS Number | 1221792-88-6 |
| Catalog Number | AG00IVSL(AGN-PC-0WB2N6) |
| Chemical Name | 3-Aminoethyl-1-methylpyrazole dihydrochloride |
| IUPAC Name | 2-(1-methylpyrazol-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C6H11N3.2ClH/c1-9-5-3-6(8-9)2-4-7;;/h3,5H,2,4,7H2,1H3;2*1H |
| InChI Key | ZDGHWQCIIKIHNA-UHFFFAOYSA-N |
| MDL Number | MFCD16090012 |
| Molecular Formula | C6H13Cl2N3 |
| Molecular Weight | 198.0935 |
| SMILES | CN1C=CC(=N1)CCN.Cl.Cl |
| Synonyms | 3-aminoethyl-1-methylpyrazole dihydrochloride,
1221792-88-6,
2-(1-Methyl-1H-pyrazol-3-yl)ethanamine dihydrochloride,
CTK7E7585,
aminoethylmethylpyrazoledihydrochloride,
MFCD16090012,
SBB092251,
AKOS005073826,
MCULE-4103113557,
RP11633,
SS-3827,
KS-00002B28,
TR-070954,
3-Aminoethyl-1-methylpyrazole di hydrochloride,
2-(1-methylpyrazol-3-yl)ethanamine dihydrochloride,
2-(1-methylpyrazol-3-yl)ethylamine, chloride, chloride,
|
| Complexity | 84.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.091g/mol |
| Monoisotopic Mass | 197.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number